Module isosurface 

Isosurface mesh generation for molecular orbital visualization.

High-level API that combines orbital grid evaluation + marching cubes into a single pipeline with dual-lobe support (positive/negative ψ) and optional normal smoothing.

Structs

IsosurfaceConfig

Configuration for isosurface generation.

OrbitalIsosurface

Dual-lobe orbital isosurface.

Functions

estimate_mesh_complexity

Estimate mesh complexity for a given grid resolution.

generate_homo_isosurface

Generate HOMO isosurface.

generate_lumo_isosurface

Generate LUMO isosurface.

generate_orbital_isosurface

Generate an isosurface mesh for a molecular orbital.